CID 132341998

3-(1-(((9h-fluoren-9-yl)methoxy)carbonyl)pyrrolidin-3-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1CN(CC1C2=CC(=NN2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O4/c27-22(28)21-11-20(24-25-21)14-9-10-26(12-14)23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,11,14,19H,9-10,12-13H2,(H,24,25)(H,27,28)
InChIKey
AIHLIFUUBBLYFV-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 194.2
[M+Na]+ 426.14242 199.8
[M-H]- 402.14592 200.6
[M+NH4]+ 421.18702 206.3
[M+K]+ 442.11636 194.6
[M+H-H2O]+ 386.15046 186.1
[M+HCOO]- 448.15140 208.0
[M+CH3COO]- 462.16705 202.4
[M+Na-2H]- 424.12787 189.3
[M]+ 403.15265 193.6
[M]- 403.15375 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.